2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide

C16H23FN2O2 — CID 107014639

IUPAC2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-10-18-11-6-8-12(9-7-11)19-16(21)15-13(17)4-3-5-14(15)20/h3-5,11-12,18,20H,2,6-10H2,1H3,(H,19,21)
InChIKeyPIKVJLDFOPEKHD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.57
Rot. Bonds5

About 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide

2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide (PubChem CID 107014639) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
PubChem CID107014639
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-10-18-11-6-8-12(9-7-11)19-16(21)15-13(17)4-3-5-14(15)20/h3-5,11-12,18,20H,2,6-10H2,1H3,(H,19,21)
InChIKeyPIKVJLDFOPEKHD-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide (CID 107014639) is 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide is CCCNC1CCC(NC(=O)c2c(O)cccc2F)CC1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
The InChIKey is PIKVJLDFOPEKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-10-18-11-6-8-12(9-7-11)19-16(21)15-13(17)4-3-5-14(15)20/h3-5,11-12,18,20H,2,6-10H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide has a molecular weight of 294.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide is sourced from PubChem (CID 107014639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).